(3S)-4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxidanylidene-1,4-thiazinane-3-carboxylic acid

Systemtic Name: (3S)-4-[4-(4-bromanylphenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxidanylidene-1,4-thiazinane-3-carboxylic acid Openeye Name: (3S)-4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxo-1,4-thiazinane-3-carboxylic acid CAS Name: (3S)-4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxo-1,4-thiazinane-3-carboxylic acid IUPAC Name: (3S)-4-[4-(4-bromophenoxy)phenyl]sulfonyl-2,2-dimethyl-1-oxo-1,4-thiazinane-3-carboxylic acid Traditional Name: (3S)-4-[4-(4-bromophenoxy)phenyl]sulfonyl-1-keto-2,2-dimethyl-1,4-thiazinane-3-carboxylic acid Formula: C19H20BrNO6S2 MolecularWeight: 502.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1=O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N(CCS1=O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br)C(=O)O)C

InChI

InChI=1S/C19H20BrNO6S2/c1-19(2)17(18(22)23)21(11-12-28(19)24)29(25,26)16-9-7-15(8-10-16)27-14-5-3-13(20)4-6-14/h3-10,17H,11-12H2,1-2H3,(H,22,23)/t17-,28?/m0/s1